⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL11615142 | 0.83 | — | — | |
| SCHEMBL11613196 | 0.67 | — | — | |
| SCHEMBL11611582 | 0.66 | — | — | |
| SCHEMBL11615558 | 0.66 | PRKACA (0.33) | — | |
| SCHEMBL11614141 | 0.62 | — | — | |
| Bromide SCHEMBL11469143 | 0.59 | ALDH1A1 (0.32) | — | |
| Bromide SCHEMBL11462141 | 0.59 | ALDH1A1 (0.32) | — | |
| Bromide SCHEMBL11471831 | 0.58 | ALDH1A1 (0.31) | — | |
| SCHEMBL24098427 | 0.56 | TAAR1 (0.40) | — | |
| SCHEMBL9045670 | 0.56 | MAOB (0.46) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4100349-A | ANTIHISTAMINES | METCALF BRIAN WALTER | 1978-07-11 | — | — | US | disclosed |